7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine

C11H13F3N2S — CID 59186545

IUPAC7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine
SMILESC=S1(=C)NCNc2cc(C(F)(F)F)c(C)cc21
InChIInChI=1S/C11H13F3N2S/c1-7-4-10-9(5-8(7)11(12,13)14)15-6-16-17(10,2)3/h4-5,15-16H,2-3,6H2,1H3
InChIKeyFBTGXCMFMCHEID-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.93
Rot. Bonds

About 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine

7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine (PubChem CID 59186545) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine.

Molecular Properties

Compound Name7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine
PubChem CID59186545
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC Name7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine
SMILESC=S1(=C)NCNc2cc(C(F)(F)F)c(C)cc21
InChIInChI=1S/C11H13F3N2S/c1-7-4-10-9(5-8(7)11(12,13)14)15-6-16-17(10,2)3/h4-5,15-16H,2-3,6H2,1H3
InChIKeyFBTGXCMFMCHEID-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine?
The IUPAC name of 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine (CID 59186545) is 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine.
What is the SMILES notation for 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine?
The canonical SMILES for 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine is C=S1(=C)NCNc2cc(C(F)(F)F)c(C)cc21.
What is the InChIKey of 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine?
The InChIKey is FBTGXCMFMCHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2S/c1-7-4-10-9(5-8(7)11(12,13)14)15-6-16-17(10,2)3/h4-5,15-16H,2-3,6H2,1H3.
What are the key properties of 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine?
7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine has a molecular weight of 262.30 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine is sourced from PubChem (CID 59186545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).